Coα-[α-(benzimidazolyl)]-Coβ-adenosylcobamide
![<i>Co</i>α-[α-(benzimidazolyl)]-<i>Co</i>β-adenosylcobamide](/media/image_cpd/svg/CPD-20845.svg)
Chemical Formula:
C70H96N18O17PCO
Molecular Weight:
1551.542 Daltons
Monoisotopic Mass:
1551.6348704930003 Daltons
SMILES:
CC4(OP([O-])(=O)OC1(C(O)C(OC(CO)1)N3(C2(=CC=CC=C2[N+](=C3)[Co---]89%11([N+]6(=C5(C(C)=C%12(C(CC(=O)N)(C(CCC(N)=O)C(C=C%10(C(C)(C)C(CCC(N)=O)C(C(C)=C7(C(CCC(NC4)=O)(C(CC(N)=O)C(C(C)(C(C)(CC(N)=O)C(CCC(=O)N)5)6)N78)C))=[N+]9%10))=[N+]%11%12)C))))(CC%13(C(C(O)C(O%13)N%14(C=NC%15(C%14=NC=NC=%15N)))O))))))
InChI:
1S/C60H86N13O14P.C10H12N5O3.Co/c1-29(86-88(83,84)87-51-39(27-74)85-55(50(51)82)73-28-68-36-12-10-11-13-38(36)73)26-67-47(81)20-21-57(6)35(22-44(64)78)54-60(9)59(8,25-46(66)80)34(16-19-43(63)77)49(72-60)31(3)53-58(7,24-45(65)79)32(14-17-41(61)75)37(69-53)23-40-56(4,5)33(15-18-42(62)76)48(70-40)30(2)52(57)71-54;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h10-13,23,28-29,32-35,39,50-51,54-55,74,82H,14-22,24-27H2,1-9H3,(H15,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,83,84);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t29-,32-,33-,34-,35+,39-,50-,51-,54-,55+,57-,58+,59+,60+;4-,6-,7-,10-;/m11./s1
InChIKey:
Synonyms
- benzimidazolyl cobamide
Databases
MetaCyc:
CPD-20845
PubChem (CID):
134820021